How can two widely used chemicals belonging to the same class of monocyclic aromatic compounds (Resorcinol and Acetaminophen) exhibit such different behaviors when it comes to endocrine disruption?
That was the central question behind our poster, “Diverging Endocrine Disruption Potential of Resorcinol and Acetaminophen” , presented at the 2025 Society of Toxicology (SOT) Annual Meeting. We explored how computational toxicology can help illuminate the endocrine-disrupting (ED) potential.
Resorcinol and acetaminophen are both found in common pharmaceutical and personal care products. Our aim was to use in silico tools to generate endocrine profiles for these two targets across multiple pathways, including estrogenic, androgenic, thyroid, and steroidogenic disruption.
We used a combination of (Q)SAR models to assess not only the parent compounds but also key metabolites, often overlooked but potentially exhibiting a different activity than their precursors.
Here’s what we found, for example, for thyroid disruption:
- Resorcinol showed a clear tendency toward thyroid disruption, in line with existing literature.
- Acetaminophen was also predicted to potentially exhibit thyroid activity. However, its metabolites were flagged as less concerning for thyroid disruption than the parent compound, suggesting a possible detoxification role of metabolism. This is notable, as it reinforces the need to look beyond the surface when evaluating chemical safety.
These findings underscore how in silico approaches can offer relevant insights early in the risk assessment process supporting prioritization. At the same time, they point out the pivotal role of expert review in providing a meaningful interpretation to the predictions. As concern about endocrine disruptors grows, particularly in the EU and under emerging global frameworks, computational profiling will be an essential part of the toxicologist’s toolbox.
Presenting this work at SOT sparked great discussions around the evolving role of predictive models in chemical safety.
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